SCHEMBL26530068

SCHEMBL26530068

Cc1cc(C(=O)N2CCC(Cn3cc(C4CCNC4)nn3)CC2)nn1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR2E1 Q9Y466 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SLC9A1 P19634 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ JAK2 O60674 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PLAT P00750 2/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ PARP1 P09874 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23260733 0.90 NR2E1 (0.42) NR2E1HTR2ASLC9A1RAB9APDE2A
SCHEMBL26530072 0.86 SLC9A1 (0.40) NR2E1HTR2ASLC9A1RAB9APDE2A
SCHEMBL26530058 0.82 NR2E1 (0.44) NR2E1HTR2ASLC9A1RAB9APDE2A
SCHEMBL26530064 0.81 NR2E1 (0.43) NR2E1HTR2ASLC9A1RAB9APDE2A
SCHEMBL26530078 0.81 NR2E1 (0.43) NR2E1HTR2ASLC9A1RAB9APDE2A
SCHEMBL26530067 0.79 RAB9A (0.52) NR2E1HTR2ARAB9AALDH1A1LMNA
SCHEMBL26535614 0.78 SLC9A1 (0.45) NR2E1HTR2ASLC9A1RAB9APDE2A
SCHEMBL26530035 0.74 PLAT (0.38) NR2E1HTR2ASLC9A1PDE2AALDH1A1
SCHEMBL26529918 0.70 NR2E1 (0.53) NR2E1HTR2ASLC9A1RAB9APDE2A
SCHEMBL23260468 0.68 NR2E1 (0.46) NR2E1HTR2ASLC9A1RAB9APDE2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 — — US disclosed
US-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS YTHDF1, YTHDF3, YTHDF2 NR2E1 2168/4885HTR2A 1643/4885SLC9A1 4843/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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